1-Acetyl-4-acetoxyproline, cetyl ester

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  • Identifiers

    CAS number
    221378-54-7

    Molecular formula
    C25H45NO5

    SMILES
    CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CC(CN1C(=O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 37.13%
    Odorless 36.07%
    Fresh 35.51%
    Waxy 33.49%
    Lactonic 32.33%
    Oily 29.01%
    Jasmin 28.17%
    Peach 26.6%
    Sweet 26.42%
    Milky 26.08%

     

    Flavor
    Oily 36.28%
    Waxy 35.59%
    Mild 32.37%
    Bland 32.27%
    Fatty 29.65%
    Odorless 27.58%
    Fruity 23.28%
    Slightly waxy 22.33%
    Bay oil 21.91%
    Beer 21.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    6.24 (neutral)

    Molecular weight
    439.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Flash point

    • 226.94 ˚C est.

  • Synonyms

    • VGMBKAGMLBFALV-CGAIIQECSA-N
    • DTXSID101021824
    • 1-Acetyl-4-acetoxyproline, cetyl ester
    • 221378-54-7
    • 221378-54-7

  • Applications

    1-Acetyl-4-acetoxyproline, cetyl ester is used as a fragrance intermediate and fixative in perfumery, contributing odor notes and improving longevity. In cosmetics and personal care, the cetyl ester of this amino-acid derivative can serve as a fatty emollient and texture enhancer. In industrial manufacturing, it functions as an intermediate for the synthesis of specialty chemicals, including proline-derived compounds. It can also act as a processing additive in coatings and inks to influence rheology and compatibility of ester-containing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.04
    methanol 95.27
    isopropanol 66.27
    water 1.57
    ethyl acetate 376.9
    n-propanol 98.7
    acetone 342.23
    n-butanol 85.6
    acetonitrile 210.47
    DMF 596.66
    toluene 123.15
    isobutanol 77.43
    1,4-dioxane 262.47
    methyl acetate 367.33
    THF 597.55
    2-butanone 401.21
    n-pentanol 84.27
    sec-butanol 104.24
    n-hexane 8.43
    ethylene glycol 12.23
    NMP 1296.39
    cyclohexane 24.13
    DMSO 588.61
    n-butyl acetate 207.84
    n-octanol 36.85
    chloroform 1049.2
    n-propyl acetate 276.34
    acetic acid 460.56
    dichloromethane 1220.86
    cyclohexanone 730.67
    propylene glycol 23.31
    isopropyl acetate 257.11
    DMAc 1352.02
    2-ethoxyethanol 208.05
    isopentanol 78.99
    n-heptane 3.72
    ethyl formate 251.07
    1,2-dichloroethane 702.7
    n-hexanol 41.64
    2-methoxyethanol 200.55
    isobutyl acetate 142.16
    tetrachloromethane 184.69
    n-pentyl acetate 225.76
    transcutol 453.13
    n-heptanol 37.76
    ethylbenzene 63.38
    MIBK 159.14
    2-propoxyethanol 143.86
    tert-butanol 80.14
    MTBE 128.55
    2-butoxyethanol 151.61
    propionic acid 270.1
    o-xylene 93.6
    formic acid 149.93
    diethyl ether 117.11
    m-xylene 63.32
    p-xylene 103.98
    chlorobenzene 288.33
    dimethyl carbonate 167.97
    n-octane 2.65
    formamide 254.19
    cyclopentanone 764.37
    2-pentanone 289.55
    anisole 161.02
    cyclopentyl methyl ether 244.36
    gamma-butyrolactone 973.6
    1-methoxy-2-propanol 158.27
    pyridine 442.84
    3-pentanone 287.92
    furfural 760.54
    n-dodecane 2.11
    diethylene glycol 72.28
    diisopropyl ether 32.85
    tert-amyl alcohol 119.31
    acetylacetone 449.56
    n-hexadecane 2.51
    acetophenone 274.81
    methyl propionate 313.59
    isopentyl acetate 190.28
    trichloroethylene 1327.41
    n-nonanol 39.21
    cyclohexanol 143.83
    benzyl alcohol 136.02
    2-ethylhexanol 35.57
    isooctanol 35.28
    dipropyl ether 54.11
    1,2-dichlorobenzene 316.92
    ethyl lactate 122.31
    propylene carbonate 581.08
    n-methylformamide 301.29
    2-pentanol 60.39
    n-pentane 6.8
    1-propoxy-2-propanol 111.69
    1-methoxy-2-propyl acetate 230.51
    2-(2-methoxypropoxy) propanol 146.21
    mesitylene 34.84
    ε-caprolactone 749.02
    p-cymene 33.32
    epichlorohydrin 886.01
    1,1,1-trichloroethane 680.44
    2-aminoethanol 42.54
    morpholine-4-carbaldehyde 649.95
    sulfolane 1185.17
    2,2,4-trimethylpentane 7.33
    2-methyltetrahydrofuran 485.19
    n-hexyl acetate 202.31
    isooctane 2.36
    2-(2-butoxyethoxy)ethanol 169.86
    sec-butyl acetate 195.88
    tert-butyl acetate 217.61
    decalin 12.84
    glycerin 48.8
    diglyme 453.57
    acrylic acid 240.15
    isopropyl myristate 52.28
    n-butyric acid 394.47
    acetyl acetate 337.6
    di(2-ethylhexyl) phthalate 73.72
    ethyl propionate 257.37
    nitromethane 901.65
    1,2-diethoxyethane 174.64
    benzonitrile 208.33
    trioctyl phosphate 45.07
    1-bromopropane 274.83
    gamma-valerolactone 985.84
    n-decanol 24.04
    triethyl phosphate 119.74
    4-methyl-2-pentanol 33.88
    propionitrile 157.08
    vinylene carbonate 516.59
    1,1,2-trichlorotrifluoroethane 702.8
    DMS 199.28
    cumene 42.32
    2-octanol 29.78
    2-hexanone 226.11
    octyl acetate 83.12
    limonene 52.23
    1,2-dimethoxyethane 361.92
    ethyl orthosilicate 102.74
    tributyl phosphate 71.59
    diacetone alcohol 203.76
    N,N-dimethylaniline 110.37
    acrylonitrile 216.27
    aniline 164.07
    1,3-propanediol 74.77
    bromobenzene 299.87
    dibromomethane 651.27
    1,1,2,2-tetrachloroethane 1071.59
    2-methyl-cyclohexyl acetate 143.75
    tetrabutyl urea 98.42
    diisobutyl methanol 19.53
    2-phenylethanol 91.27
    styrene 89.59
    dioctyl adipate 115.42
    dimethyl sulfate 443.92
    ethyl butyrate 184.09
    methyl lactate 138.08
    butyl lactate 151.61
    diethyl carbonate 133.55
    propanediol butyl ether 96.72
    triethyl orthoformate 133.85
    p-tert-butyltoluene 26.42
    methyl 4-tert-butylbenzoate 193.02
    morpholine 392.38
    tert-butylamine 45.38
    n-dodecanol 15.98
    dimethoxymethane 232.3
    ethylene carbonate 435.85
    cyrene 206.11
    2-ethoxyethyl acetate 318.04
    2-ethylhexyl acetate 158.88
    1,2,4-trichlorobenzene 412.87
    4-methylpyridine 471.77
    dibutyl ether 66.32
    2,6-dimethyl-4-heptanol 19.53
    DEF 469.91
    dimethyl isosorbide 290.39
    tetrachloroethylene 672.42
    eugenol 162.49
    triacetin 290.77
    span 80 106.21
    1,4-butanediol 41.29
    1,1-dichloroethane 568.24
    2-methyl-1-pentanol 92.45
    methyl formate 224.43
    2-methyl-1-butanol 99.5
    n-decane 4.58
    butyronitrile 158.27
    3,7-dimethyl-1-octanol 38.23
    1-chlorooctane 35.84
    1-chlorotetradecane 10.55
    n-nonane 3.93
    undecane 2.92
    tert-butylcyclohexane 7.59
    cyclooctane 5.34
    cyclopentanol 181.52
    tetrahydropyran 336.17
    tert-amyl methyl ether 133.93
    2,5,8-trioxanonane 250.8
    1-hexene 42.59
    2-isopropoxyethanol 147.22
    2,2,2-trifluoroethanol 297.57
    methyl butyrate 391.04

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction